(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone

C11H13Cl2NO2 — CID 106689862

IUPAC(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCCC1CCl
InChIInChI=1S/C11H13Cl2NO2/c12-7-8-3-1-2-6-14(8)11(15)9-4-5-10(13)16-9/h4-5,8H,1-3,6-7H2
InChIKeyNOGQJJPIJVUGDF-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.17
Rot. Bonds2

About (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone

(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone (PubChem CID 106689862) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
PubChem CID106689862
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)o1)N1CCCCC1CCl
InChIInChI=1S/C11H13Cl2NO2/c12-7-8-3-1-2-6-14(8)11(15)9-4-5-10(13)16-9/h4-5,8H,1-3,6-7H2
InChIKeyNOGQJJPIJVUGDF-UHFFFAOYSA-N
XLogP3.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
(5-chlorofuran-2-yl)-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240265
(5-chlorofuran-2-yl)-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 75387563
[2-(chloromethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 63395374
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011
1-[2-(chloromethyl)azepan-1-yl]-2-(4-chlorophenyl)ethanone
CID 116639127
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95319796
1-[1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549097
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95308437
[2-(chloromethyl)pyrrolidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114375617
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone (CID 106689862) is (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)o1)N1CCCCC1CCl.
What is the InChIKey of (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone?
The InChIKey is NOGQJJPIJVUGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-7-8-3-1-2-6-14(8)11(15)9-4-5-10(13)16-9/h4-5,8H,1-3,6-7H2.
What are the key properties of (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone has a molecular weight of 262.14 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106689862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).